N-(3-cyclohexyloxypropyl)-3-methylimidazole-4-carboxamide

C14H23N3O2 — CID 122562458

IUPACN-(3-cyclohexyloxypropyl)-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C14H23N3O2/c1-17-11-15-10-13(17)14(18)16-8-5-9-19-12-6-3-2-4-7-12/h10-12H,2-9H2,1H3,(H,16,18)
InChIKeyYBTHWPSNTBGNSI-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.89
Rot. Bonds6

About N-(3-cyclohexyloxypropyl)-3-methylimidazole-4-carboxamide

N-(3-cyclohexyloxypropyl)-3-methylimidazole-4-carboxamide (PubChem CID 122562458) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-3-methylimidazole-4-carboxamide
PubChem CID122562458
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(3-cyclohexyloxypropyl)-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C14H23N3O2/c1-17-11-15-10-13(17)14(18)16-8-5-9-19-12-6-3-2-4-7-12/h10-12H,2-9H2,1H3,(H,16,18)
InChIKeyYBTHWPSNTBGNSI-UHFFFAOYSA-N
XLogP1.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-hydroxyethoxy)propyl]-3-methylimidazole-4-carboxamide
CID 106305682
N-[3-(cyclopropylamino)propyl]-3-methylimidazole-4-carboxamide
CID 103511511
N-(3-cyclohexyloxypropyl)-3-(difluoromethyl)-1-methylpyrazole-5-carboxamide
CID 122562455
6-[(3-methylimidazole-4-carbonyl)amino]hexanoic acid
CID 103510365
N-cyclopentyl-3-methylimidazole-4-carboxamide
CID 110848735
3-methyl-N-propylimidazole-4-carboxamide
CID 23552392
N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide
CID 77084205
3-chloro-N-(3-cyclohexyloxypropyl)-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 77083829
N-(3-cyclohexyloxypropyl)-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30755491
1-(3-cyclohexyloxypropyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 86993142
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
N-(2-cycloheptyloxyethyl)-1-methylimidazole-4-carboxamide
CID 136516341

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-3-methylimidazole-4-carboxamide (CID 122562458) is N-(3-cyclohexyloxypropyl)-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)NCCCOC1CCCCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-3-methylimidazole-4-carboxamide?
The InChIKey is YBTHWPSNTBGNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-17-11-15-10-13(17)14(18)16-8-5-9-19-12-6-3-2-4-7-12/h10-12H,2-9H2,1H3,(H,16,18).
What are the key properties of N-(3-cyclohexyloxypropyl)-3-methylimidazole-4-carboxamide?
N-(3-cyclohexyloxypropyl)-3-methylimidazole-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 122562458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).